CID 3086624

Tenosiprol

Structural Information

Molecular Formula
C10H11NO4S
SMILES
C1[C@H](CN[C@@H]1C(=O)O)OC(=O)C2=CC=CS2
InChI
InChI=1S/C10H11NO4S/c12-9(13)7-4-6(5-11-7)15-10(14)8-2-1-3-16-8/h1-3,6-7,11H,4-5H2,(H,12,13)/t6-,7+/m1/s1
InChIKey
UALJSXIPZBZMGU-RQJHMYQMSA-N
Compound name
(2S,4R)-4-(thiophene-2-carbonyloxy)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

241.04088 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 154.3
[M+Na]+ 264.03010 160.5
[M-H]- 240.03360 157.4
[M+NH4]+ 259.07470 172.7
[M+K]+ 280.00404 158.2
[M+H-H2O]+ 224.03814 148.7
[M+HCOO]- 286.03908 168.6
[M+CH3COO]- 300.05473 181.1
[M+Na-2H]- 262.01555 151.0
[M]+ 241.04033 153.5
[M]- 241.04143 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.